Base information
| Cat. No. | |
| CAS No. | 1056877-14-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H6N2O2 |
| Molecular Weight | 174.156 |
| Exact Mass | 174.043 |
| XLogP3 | 1.1479 |
| Mr | 46.9485 |
| PSA | 63.08 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 20 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | O=Cc1c(O)cnc2c1nccc2 |
